Geometry & MOs

Info

ID:	439293
PubChem CID:	135229061
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	8.31
Dipole, Da:	2.55
IP(EA), eV:	-8.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]heptan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CCCOC2=CN=C(N=C2)N

DOS

IR

Vibrations